Molecule ID: mol25425
SMILES: Cc1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1
InChI: InChI=1S/C4H4N4O4/c1-2-5-3(7(9)10)4(6-2)8(11)12/h1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.45 | AttenGpKa training set | 1 » 0 |
| 4.14 | AttenGpKa training set | 0 » -1 |